CID 852848

N-benzoylphenylalaninol

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)C[C@@H](CO)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1
InChIKey
RFYNAVYPYXLVOM-HNNXBMFYSA-N
Compound name
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

255.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.5
[M+Na]+ 278.11515 163.6
[M-H]- 254.11865 164.1
[M+NH4]+ 273.15975 174.6
[M+K]+ 294.08909 159.8
[M+H-H2O]+ 238.12319 151.6
[M+HCOO]- 300.12413 181.4
[M+CH3COO]- 314.13978 194.7
[M+Na-2H]- 276.10060 163.9
[M]+ 255.12538 157.5
[M]- 255.12648 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe